| Identification | More | [Name]
Trifluoro-p-tolunitrile | [CAS]
455-18-5 | [Synonyms]
4-CYANOBENZOTRIFLUORIDE
4-(TRIFLUOROMETHYL)BENZONITRILE
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUNITRILE
PARA-TRIFLUOROMETHYL-BENZONITRILE
PTF-CN
P-TRIFLUOROMETHYLBENZONITRILE
trifluoro-p-tolunitrile
4-(trifluoromethyl)-benzonitril
alpha,alpha,alpha-Trifluoro-p-toluonitrile
Benzonitrile, 4-(trifluoromethyl)-
Benzonitrile, p-(trifluoromethyl)-
p-Cyanobenzotrifluoride
p-Tolunitrile, alpha,alpha,alpha-trifluoro-
4-Cyanobenzotrifloride
alpha,alpha,alpha-trifluoro-4-toluonitrile
4-(TRIFLUOROMETHYL)-PHENYL CYANIDE
à,à,à-trifluoro-p-tolunitrile
4-(Trifluoromethyl)benzonitrile98%
alpha,alpha,alpha-Trifluor-4-toluonitril
p-trifluoromethylbenonitrile | [EINECS(EC#)]
207-239-1 | [Molecular Formula]
C8H4F3N | [MDL Number]
MFCD00001826 | [Molecular Weight]
171.12 | [MOL File]
455-18-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
39-41 °C(lit.)
| [Boiling point ]
80-81 °C20 mm Hg(lit.)
| [density ]
1.278 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4583(lit.)
| [Fp ]
161 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Chloroform, Methanol | [Water Solubility ]
Insoluble in water | [form ]
powder to lump to clear liquid | [color ]
White or Colorless to Light yellow | [Specific Gravity]
1.278 | [Sensitive ]
Lachrymatory | [BRN ]
2046478 | [InChI]
1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H | [InChIKey]
DRNJIKRLQJRKMM-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1ccc(cc1)C#N | [CAS DataBase Reference]
455-18-5(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Trifluoromethylbenzoic acid nitrile(455-18-5) | [EPA Substance Registry System]
455-18-5(EPA Substance) |
| Questions And Answer | Back Directory | [Preparation]
nitrogen-protected flask, thermometer, and stirrer were installed. 200 mL of acetonitrile, 6.6 g (25 mmol) of triphenylphosphine, and 10 mmol of anhydrous nickel chloride (dried under vacuum at 100 °C with 2.4 g NiCl₂·6H₂O until yellow, requiring approximately 6–9 h) were added. Under nitrogen protection, the mixture was heated to reflux in an oil bath (80–82 °C) and stirred for 10 min until the solution turned dark green. The mixture was cooled to room temperature, and 4.3 g (60 mmol) of zinc powder was added. The reaction proceeded until an orange-yellow precipitate formed. The temperature was then raised to 45 °C, and the reaction proceeded for 0.5 h. 122.4 g (0.68 mol) of p-chlorotrifluorotoluene was added, and the mixture was stirred for 5 min. 44.2 g (0.68 mol) of potassium cyanide was then added, and the solution immediately turned yellow-green. The reaction was continued at this temperature with stirring. Gas chromatography monitoring showed that after 15 h, the conversion rate of p-chlorotrifluorotoluene was 82.7%, the hydrogenated dehalogenated trifluorotoluene was 0.4%, and the biphenyl product 4,4'-ditrifluoromethylbiphenyl was 0.8%. Anhydrous potassium carbonate was added and stirred for 5 min. The mixture was filtered, and the filtrate was an orange-red solution. Vacuum distillation yielded white Trifluoro-p-tolunitrile crystals. |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H228-H302+H312+H332 | [Precautionary statements ]
P210-P240-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1325 4.1/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Lachrymatory | [TSCA ]
T | [REACH Registrations]
Inactive | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
4.1B - Flammable solid hazardous materials | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Sol. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-(Trifluoromethyl)benzonitrile is used in the synthesis of quinazolines for amidines. Also used in the synthesis of s-transferase p1-1 and cancer cell proliferation. | [General Description]
4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|